3-[(4-imidazol-1-yl-2-nitro-phenyl)amino]-N-methyl-N-[1-[(2-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]propanamide

Systemtic Name: 3-[(4-imidazol-1-yl-2-nitro-phenyl)amino]-N-methyl-N-[1-[(2-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]propanamide Openeye Name: N-[1-[(2-benzyloxyphenyl)methyl]pyrrolidin-3-yl]-3-(4-imidazol-1-yl-2-nitro-anilino)-N-methyl-propanamide CAS Name: 3-[4-(1-imidazolyl)-2-nitroanilino]-N-methyl-N-[1-[(2-phenylmethoxyphenyl)methyl]-3-pyrrolidinyl]propanamide IUPAC Name: 3-(4-imidazol-1-yl-2-nitroanilino)-N-methyl-N-[1-[(2-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]propanamide Traditional Name: N-[1-(2-benzoxybenzyl)pyrrolidin-3-yl]-3-(4-imidazol-1-yl-2-nitro-anilino)-N-methyl-propionamide Formula: C31H34N6O4 MolecularWeight: 554.63946

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCN(C1)CC2=CC=CC=C2OCC3=CC=CC=C3)C(=O)CCNC4=C(C=C(C=C4)N5C=CN=C5)[N+](=O)[O-]

Isomeric SMILES

CN(C1CCN(C1)CC2=CC=CC=C2OCC3=CC=CC=C3)C(=O)CCNC4=C(C=C(C=C4)N5C=CN=C5)[N+](=O)[O-]

InChI

InChI=1S/C31H34N6O4/c1-34(31(38)13-15-33-28-12-11-26(19-29(28)37(39)40)36-18-16-32-23-36)27-14-17-35(21-27)20-25-9-5-6-10-30(25)41-22-24-7-3-2-4-8-24/h2-12,16,18-19,23,27,33H,13-15,17,20-22H2,1H3