[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]piperazin-1-yl]-(3-propan-2-yloxyphenyl)methanone

Systemtic Name: [4-[4-nitro-3-[(phenylmethyl)amino]phenyl]piperazin-1-yl]-(3-propan-2-yloxyphenyl)methanone Openeye Name: [4-[3-(benzylamino)-4-nitro-phenyl]piperazin-1-yl]-(3-isopropoxyphenyl)methanone CAS Name: [4-[4-nitro-3-[(phenylmethyl)amino]phenyl]-1-piperazinyl]-(3-propan-2-yloxyphenyl)methanone IUPAC Name: [4-[3-(benzylamino)-4-nitrophenyl]piperazin-1-yl]-(3-propan-2-yloxyphenyl)methanone Traditional Name: [4-[3-(benzylamino)-4-nitro-phenyl]piperazino]-(3-isopropoxyphenyl)methanone Formula: C27H30N4O4 MolecularWeight: 474.5515

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=CC=C4

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=CC=C4

InChI

InChI=1S/C27H30N4O4/c1-20(2)35-24-10-6-9-22(17-24)27(32)30-15-13-29(14-16-30)23-11-12-26(31(33)34)25(18-23)28-19-21-7-4-3-5-8-21/h3-12,17-18,20,28H,13-16,19H2,1-2H3