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

Systemtic Name: [4-(phenylmethyl)-1,4-diazepan-1-yl]-(1-thiophen-2-ylcarbonylpiperidin-4-yl)methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-[1-(thiophene-2-carbonyl)-4-piperidyl]methanone CAS Name: [1-[oxo(thiophen-2-yl)methyl]-4-piperidinyl]-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-[1-(2-thenoyl)-4-piperidyl]methanone Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2CCN(CC2)C(=O)C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2CCN(CC2)C(=O)C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C23H29N3O2S/c27-22(20-9-13-26(14-10-20)23(28)21-8-4-17-29-21)25-12-5-11-24(15-16-25)18-19-6-2-1-3-7-19/h1-4,6-8,17,20H,5,9-16,18H2