3-chloranyl-N-[1-oxidanylidene-1-(pyridin-4-ylmethylamino)propan-2-yl]-6H-benzo[b][1,4]benzoxazepine-5-carboxamide

Systemtic Name: 3-chloranyl-N-[1-oxidanylidene-1-(pyridin-4-ylmethylamino)propan-2-yl]-6H-benzo[b][1,4]benzoxazepine-5-carboxamide Openeye Name: 3-chloro-N-[1-methyl-2-oxo-2-(4-pyridylmethylamino)ethyl]-6H-benzo[b][1,4]benzoxazepine-5-carboxamide CAS Name: 3-chloro-N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]-6H-benzo[b][1,4]benzoxazepine-5-carboxamide IUPAC Name: 3-chloro-N-[1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]-6H-benzo[b][1,4]benzoxazepine-5-carboxamide Traditional Name: 3-chloro-N-[2-keto-1-methyl-2-(4-pyridylmethylamino)ethyl]-6H-benzo[b][1,4]benzoxazepine-5-carboxamide Formula: C23H21ClN4O3 MolecularWeight: 436.89084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=NC=C1)NC(=O)N2CC3=CC=CC=C3OC4=C2C=C(C=C4)Cl

Isomeric SMILES

CC(C(=O)NCC1=CC=NC=C1)NC(=O)N2CC3=CC=CC=C3OC4=C2C=C(C=C4)Cl

InChI

InChI=1S/C23H21ClN4O3/c1-15(22(29)26-13-16-8-10-25-11-9-16)27-23(30)28-14-17-4-2-3-5-20(17)31-21-7-6-18(24)12-19(21)28/h2-12,15H,13-14H2,1H3,(H,26,29)(H,27,30)