[4-[4-(1,4-diazepan-1-ylcarbonyl)-2-nitro-phenyl]piperazin-1-yl]-(3-methoxyphenyl)methanone

Systemtic Name: [4-[4-(1,4-diazepan-1-ylcarbonyl)-2-nitro-phenyl]piperazin-1-yl]-(3-methoxyphenyl)methanone Openeye Name: [4-[4-(1,4-diazepane-1-carbonyl)-2-nitro-phenyl]piperazin-1-yl]-(3-methoxyphenyl)methanone CAS Name: [4-[4-[1,4-diazepan-1-yl(oxo)methyl]-2-nitrophenyl]-1-piperazinyl]-(3-methoxyphenyl)methanone IUPAC Name: [4-[4-(1,4-diazepane-1-carbonyl)-2-nitrophenyl]piperazin-1-yl]-(3-methoxyphenyl)methanone Traditional Name: [4-[4-(1,4-diazepane-1-carbonyl)-2-nitro-phenyl]piperazino]-(3-methoxyphenyl)methanone Formula: C24H29N5O5 MolecularWeight: 467.51756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCCNCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCCNCC4)[N+](=O)[O-]

InChI

InChI=1S/C24H29N5O5/c1-34-20-5-2-4-18(16-20)23(30)28-14-12-26(13-15-28)21-7-6-19(17-22(21)29(32)33)24(31)27-10-3-8-25-9-11-27/h2,4-7,16-17,25H,3,8-15H2,1H3