N-[3-(2-diethylaminoethylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[3-(2-diethylaminoethylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[3-(2-diethylaminoethylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-4-methyl-3-nitro-benzamide CAS Name: N-[3-[(2-diethylaminoethylamino)-oxomethyl]-4-[4-(2-methoxyphenyl)-1-piperazinyl]phenyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[3-(2-diethylaminoethylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[3-(2-diethylaminoethylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazino]phenyl]-4-methyl-3-nitro-benzamide Formula: C32H40N6O5 MolecularWeight: 588.6972

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

CCN(CC)CCNC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])N3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C32H40N6O5/c1-5-35(6-2)16-15-33-32(40)26-22-25(34-31(39)24-12-11-23(3)29(21-24)38(41)42)13-14-27(26)36-17-19-37(20-18-36)28-9-7-8-10-30(28)43-4/h7-14,21-22H,5-6,15-20H2,1-4H3,(H,33,40)(H,34,39)