[3-nitro-4-[4-(4-propan-2-ylphenyl)carbonylpiperazin-1-yl]phenyl]-phenyl-methanone

Systemtic Name: [3-nitro-4-[4-(4-propan-2-ylphenyl)carbonylpiperazin-1-yl]phenyl]-phenyl-methanone Openeye Name: [4-[4-(4-isopropylbenzoyl)piperazin-1-yl]-3-nitro-phenyl]-phenyl-methanone CAS Name: [3-nitro-4-[4-[oxo-(4-propan-2-ylphenyl)methyl]-1-piperazinyl]phenyl]-phenylmethanone IUPAC Name: [3-nitro-4-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]phenyl]-phenylmethanone Traditional Name: [4-(4-cumoylpiperazino)-3-nitro-phenyl]-phenyl-methanone Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H27N3O4/c1-19(2)20-8-10-22(11-9-20)27(32)29-16-14-28(15-17-29)24-13-12-23(18-25(24)30(33)34)26(31)21-6-4-3-5-7-21/h3-13,18-19H,14-17H2,1-2H3