4-[(9-cyclopentyl-5,7,7-trimethyl-6-oxidanylidene-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-[[(3S)-1-methylpiperidin-3-yl]methyl]benzamide

Systemtic Name: 4-[(9-cyclopentyl-5,7,7-trimethyl-6-oxidanylidene-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-[[(3S)-1-methylpiperidin-3-yl]methyl]benzamide Openeye Name: 4-[(9-cyclopentyl-5,7,7-trimethyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-[[(3S)-1-methyl-3-piperidyl]methyl]benzamide CAS Name: 4-[(9-cyclopentyl-5,7,7-trimethyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-[[(3S)-1-methyl-3-piperidinyl]methyl]benzamide IUPAC Name: 4-[(9-cyclopentyl-5,7,7-trimethyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-[[(3S)-1-methylpiperidin-3-yl]methyl]benzamide Traditional Name: 4-[(9-cyclopentyl-6-keto-5,7,7-trimethyl-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-[[(3S)-1-methyl-3-piperidyl]methyl]benzamide Formula: C30H43N7O3 MolecularWeight: 549.70752

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C2=NC(=NC=C2N(C1=O)C)NC3=C(C=C(C=C3)C(=O)NCC4CCCN(C4)C)OC)C5CCCC5)C

Isomeric SMILES

CC1(CN(C2=NC(=NC=C2N(C1=O)C)NC3=C(C=C(C=C3)C(=O)NC[C@@H]4CCCN(C4)C)OC)C5CCCC5)C

InChI

InChI=1S/C30H43N7O3/c1-30(2)19-37(22-10-6-7-11-22)26-24(36(4)28(30)39)17-32-29(34-26)33-23-13-12-21(15-25(23)40-5)27(38)31-16-20-9-8-14-35(3)18-20/h12-13,15,17,20,22H,6-11,14,16,18-19H2,1-5H3,(H,31,38)(H,32,33,34)/t20-/m0/s1