[4-(azepan-1-yl)-3-nitro-phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: [4-(azepan-1-yl)-3-nitro-phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone Openeye Name: [4-(azepan-1-yl)-3-nitro-phenyl]-[4-(4-pyridylmethyl)piperazin-1-yl]methanone CAS Name: [4-(1-azepanyl)-3-nitrophenyl]-[4-(pyridin-4-ylmethyl)-1-piperazinyl]methanone IUPAC Name: [4-(azepan-1-yl)-3-nitrophenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone Traditional Name: [4-(azepan-1-yl)-3-nitro-phenyl]-[4-(4-pyridylmethyl)piperazino]methanone Formula: C23H29N5O3 MolecularWeight: 423.50806

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=NC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=NC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H29N5O3/c29-23(27-15-13-25(14-16-27)18-19-7-9-24-10-8-19)20-5-6-21(22(17-20)28(30)31)26-11-3-1-2-4-12-26/h5-10,17H,1-4,11-16,18H2