7-chloranyl-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide

Systemtic Name: 7-chloranyl-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: 7-chloro-N-[[4-(3-methyl-1-piperidyl)phenyl]methyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: 7-chloro-N-[[4-(3-methyl-1-piperidinyl)phenyl]methyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: 7-chloro-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: 7-chloro-5-mesyl-N-[4-(3-methylpiperidino)benzyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C24H30ClN3O4S MolecularWeight: 492.0307

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=CC=C(C=C2)CNC(=O)C3CCN(C4=C(O3)C=CC(=C4)Cl)S(=O)(=O)C

Isomeric SMILES

CC1CCCN(C1)C2=CC=C(C=C2)CNC(=O)C3CCN(C4=C(O3)C=CC(=C4)Cl)S(=O)(=O)C

InChI

InChI=1S/C24H30ClN3O4S/c1-17-4-3-12-27(16-17)20-8-5-18(6-9-20)15-26-24(29)23-11-13-28(33(2,30)31)21-14-19(25)7-10-22(21)32-23/h5-10,14,17,23H,3-4,11-13,15-16H2,1-2H3,(H,26,29)