[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanone

Systemtic Name: [4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanone Openeye Name: (1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)-[4-(o-tolylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: [4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanone IUPAC Name: [4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanone Traditional Name: (1-mesyl-3,4-dihydro-2H-quinolin-6-yl)-[4-(2-methylbenzyl)-1,4-diazepan-1-yl]methanone Formula: C24H31N3O3S MolecularWeight: 441.58624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)C3=CC4=C(C=C3)N(CCC4)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1CN2CCCN(CC2)C(=O)C3=CC4=C(C=C3)N(CCC4)S(=O)(=O)C

InChI

InChI=1S/C24H31N3O3S/c1-19-7-3-4-8-22(19)18-25-12-6-13-26(16-15-25)24(28)21-10-11-23-20(17-21)9-5-14-27(23)31(2,29)30/h3-4,7-8,10-11,17H,5-6,9,12-16,18H2,1-2H3