[4-[(4-nitrophenyl)methyl-phenethyl-amino]-1-pyridin-3-ylcarbonyl-pyrrolidin-2-yl]-piperazin-1-yl-methanone

Systemtic Name: [4-[(4-nitrophenyl)methyl-phenethyl-amino]-1-pyridin-3-ylcarbonyl-pyrrolidin-2-yl]-piperazin-1-yl-methanone Openeye Name: [4-[(4-nitrophenyl)methyl-phenethyl-amino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-piperazin-1-yl-methanone CAS Name: [4-[(4-nitrophenyl)methyl-phenethylamino]-1-[oxo(3-pyridinyl)methyl]-2-pyrrolidinyl]-(1-piperazinyl)methanone IUPAC Name: [4-[(4-nitrophenyl)methyl-phenethylamino]-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone Traditional Name: [1-nicotinoyl-4-[(4-nitrobenzyl)-phenethyl-amino]pyrrolidin-2-yl]-piperazino-methanone Formula: C30H34N6O4 MolecularWeight: 542.62876

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=O)C2CC(CN2C(=O)C3=CN=CC=C3)N(CCC4=CC=CC=C4)CC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)C(=O)C2CC(CN2C(=O)C3=CN=CC=C3)N(CCC4=CC=CC=C4)CC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C30H34N6O4/c37-29(25-7-4-13-32-20-25)35-22-27(19-28(35)30(38)33-17-14-31-15-18-33)34(16-12-23-5-2-1-3-6-23)21-24-8-10-26(11-9-24)36(39)40/h1-11,13,20,27-28,31H,12,14-19,21-22H2