[1-(2-nitrophenyl)piperidin-4-yl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: [1-(2-nitrophenyl)piperidin-4-yl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: [1-(2-nitrophenyl)-4-piperidyl]-[4-(2-thienylmethyl)-1,4-diazepan-1-yl]methanone CAS Name: [1-(2-nitrophenyl)-4-piperidinyl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: [1-(2-nitrophenyl)piperidin-4-yl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone Traditional Name: [1-(2-nitrophenyl)-4-piperidyl]-[4-(2-thenyl)-1,4-diazepan-1-yl]methanone Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-])CC4=CC=CS4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-])CC4=CC=CS4

InChI

InChI=1S/C22H28N4O3S/c27-22(25-11-4-10-23(14-15-25)17-19-5-3-16-30-19)18-8-12-24(13-9-18)20-6-1-2-7-21(20)26(28)29/h1-3,5-7,16,18H,4,8-15,17H2