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

Systemtic Name: 7-chloranyl-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Openeye Name: 7-chloro-N-[1-[4-(3-methyl-1-piperidyl)phenyl]ethyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide CAS Name: 7-chloro-N-[1-[4-(3-methyl-1-piperidinyl)phenyl]ethyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide IUPAC Name: 7-chloro-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Traditional Name: 7-chloro-5-mesyl-N-[1-[4-(3-methylpiperidino)phenyl]ethyl]-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide Formula: C25H32ClN3O4S MolecularWeight: 506.05728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32ClN3O4S/c1-17-5-4-13-28(16-17)21-9-6-19(7-10-21)18(2)27-25(30)24-12-14-29(34(3,31)32)22-15-20(26)8-11-23(22)33-24/h6-11,15,17-18,24H,4-5,12-14,16H2,1-3H3,(H,27,30)