[1-(phenylcarbonyl)piperidin-4-yl]-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: [1-(phenylcarbonyl)piperidin-4-yl]-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (1-benzoyl-4-piperidyl)-[4-(3-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: (1-benzoyl-4-piperidinyl)-[4-(3-thiophenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (1-benzoylpiperidin-4-yl)-[4-(thiophen-3-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: (1-benzoyl-4-piperidyl)-[4-(3-thenyl)-1,4-diazepan-1-yl]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=CC=C3)CC4=CSC=C4

Isomeric SMILES

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

InChI

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