[2-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]phenyl]-thiophen-2-yl-methanone

Systemtic Name: [2-[[4-(phenylmethyl)-1,4-diazepan-1-yl]carbonyl]phenyl]-thiophen-2-yl-methanone Openeye Name: [2-(4-benzyl-1,4-diazepane-1-carbonyl)phenyl]-(2-thienyl)methanone CAS Name: [2-[oxo-[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]phenyl]-thiophen-2-ylmethanone IUPAC Name: [2-(4-benzyl-1,4-diazepane-1-carbonyl)phenyl]-thiophen-2-ylmethanone Traditional Name: [2-(4-benzyl-1,4-diazepane-1-carbonyl)phenyl]-(2-thienyl)methanone Formula: C24H24N2O2S MolecularWeight: 404.52456

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC=CC=C2C(=O)C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC=CC=C2C(=O)C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C24H24N2O2S/c27-23(22-12-6-17-29-22)20-10-4-5-11-21(20)24(28)26-14-7-13-25(15-16-26)18-19-8-2-1-3-9-19/h1-6,8-12,17H,7,13-16,18H2