N-(4-methoxyphenyl)-4-(3-methylphenyl)carbonyl-1,4-diazepane-1-carboxamide

Systemtic Name: N-(4-methoxyphenyl)-4-(3-methylphenyl)carbonyl-1,4-diazepane-1-carboxamide Openeye Name: N-(4-methoxyphenyl)-4-(3-methylbenzoyl)-1,4-diazepane-1-carboxamide CAS Name: N-(4-methoxyphenyl)-4-[(3-methylphenyl)-oxomethyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(4-methoxyphenyl)-4-(3-methylbenzoyl)-1,4-diazepane-1-carboxamide Traditional Name: N-(4-methoxyphenyl)-4-m-toluoyl-1,4-diazepane-1-carboxamide Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCCN(CC2)C(=O)NC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCCN(CC2)C(=O)NC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H25N3O3/c1-16-5-3-6-17(15-16)20(25)23-11-4-12-24(14-13-23)21(26)22-18-7-9-19(27-2)10-8-18/h3,5-10,15H,4,11-14H2,1-2H3,(H,22,26)