N-[3-methyl-1-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-1-oxidanylidene-pentan-2-yl]benzamide

Systemtic Name: N-[3-methyl-1-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-1-oxidanylidene-pentan-2-yl]benzamide Openeye Name: N-[2-methyl-1-[4-(p-tolylmethyl)-1,4-diazepane-1-carbonyl]butyl]benzamide CAS Name: N-[3-methyl-1-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-1-oxopentan-2-yl]benzamide IUPAC Name: N-[3-methyl-1-[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-1-oxopentan-2-yl]benzamide Traditional Name: N-[2-methyl-1-[4-(4-methylbenzyl)-1,4-diazepane-1-carbonyl]butyl]benzamide Formula: C26H35N3O2 MolecularWeight: 421.575

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCCN(CC1)CC2=CC=C(C=C2)C)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCC(C)C(C(=O)N1CCCN(CC1)CC2=CC=C(C=C2)C)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H35N3O2/c1-4-21(3)24(27-25(30)23-9-6-5-7-10-23)26(31)29-16-8-15-28(17-18-29)19-22-13-11-20(2)12-14-22/h5-7,9-14,21,24H,4,8,15-19H2,1-3H3,(H,27,30)