[4-[4-nitro-3-[(phenylmethyl)amino]phenyl]piperazin-1-yl]-(4-propoxyphenyl)methanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=CC=C4

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC(=C(C=C3)[N+](=O)[O-])NCC4=CC=CC=C4

InChI

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