(2S)-2-acetamido-N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-3-(1H-indol-3-yl)-N-methyl-propanamide

Systemtic Name: (2S)-2-acetamido-N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-3-(1H-indol-3-yl)-N-methyl-propanamide Openeye Name: (2S)-2-acetamido-N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-3-(1H-indol-3-yl)-N-methyl-propanamide CAS Name: (2S)-2-acetamido-N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide IUPAC Name: (2S)-2-acetamido-N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-3-(1H-indol-3-yl)-N-methylpropanamide Traditional Name: (2S)-2-acetamido-N-[(4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-3-(1H-indol-3-yl)-N-methyl-propionamide Formula: C25H30N4O3 MolecularWeight: 434.5307

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC(OC2=CC=CC=C21)CN(C)C(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C

Isomeric SMILES

CCN1CC(OC2=CC=CC=C21)CN(C)C(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)C

InChI

InChI=1S/C25H30N4O3/c1-4-29-16-19(32-24-12-8-7-11-23(24)29)15-28(3)25(31)22(27-17(2)30)13-18-14-26-21-10-6-5-9-20(18)21/h5-12,14,19,22,26H,4,13,15-16H2,1-3H3,(H,27,30)/t19?,22-/m0/s1