(3R,4S)-N-cyclopropyl-4-[1-[(3,5-dimethoxyphenyl)methyl]indol-4-yl]-N-[4-(3-methoxypropyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]piperidine-3-carboxamide

Systemtic Name: (3R,4S)-N-cyclopropyl-4-[1-[(3,5-dimethoxyphenyl)methyl]indol-4-yl]-N-[4-(3-methoxypropyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]piperidine-3-carboxamide Openeye Name: (3R,4S)-N-cyclopropyl-4-[1-[(3,5-dimethoxyphenyl)methyl]indol-4-yl]-N-[4-(3-methoxypropyl)-3-oxo-1,4-benzoxazin-6-yl]piperidine-3-carboxamide CAS Name: (3R,4S)-N-cyclopropyl-4-[1-[(3,5-dimethoxyphenyl)methyl]-4-indolyl]-N-[4-(3-methoxypropyl)-3-oxo-1,4-benzoxazin-6-yl]-3-piperidinecarboxamide IUPAC Name: (3R,4S)-N-cyclopropyl-4-[1-[(3,5-dimethoxyphenyl)methyl]indol-4-yl]-N-[4-(3-methoxypropyl)-3-oxo-1,4-benzoxazin-6-yl]piperidine-3-carboxamide Traditional Name: (3R,4S)-N-cyclopropyl-4-[1-(3,5-dimethoxybenzyl)indol-4-yl]-N-[3-keto-4-(3-methoxypropyl)-1,4-benzoxazin-6-yl]nipecotamide Formula: C38H44N4O6 MolecularWeight: 652.77916

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)COC2=C1C=C(C=C2)N(C3CC3)C(=O)C4CNCCC4C5=C6C=CN(C6=CC=C5)CC7=CC(=CC(=C7)OC)OC

Isomeric SMILES

COCCCN1C(=O)COC2=C1C=C(C=C2)N(C3CC3)C(=O)[C@H]4CNCC[C@@H]4C5=C6C=CN(C6=CC=C5)CC7=CC(=CC(=C7)OC)OC

InChI

InChI=1S/C38H44N4O6/c1-45-17-5-15-41-35-20-27(10-11-36(35)48-24-37(41)43)42(26-8-9-26)38(44)33-22-39-14-12-31(33)30-6-4-7-34-32(30)13-16-40(34)23-25-18-28(46-2)21-29(19-25)47-3/h4,6-7,10-11,13,16,18-21,26,31,33,39H,5,8-9,12,14-15,17,22-24H2,1-3H3/t31-,33+/m1/s1