[4-[2-methoxyethyl-[(4-nitrophenyl)methyl]amino]-1-(4-methylphenyl)carbonyl-pyrrolidin-2-yl]-piperazin-1-yl-methanone

Systemtic Name: [4-[2-methoxyethyl-[(4-nitrophenyl)methyl]amino]-1-(4-methylphenyl)carbonyl-pyrrolidin-2-yl]-piperazin-1-yl-methanone Openeye Name: [4-[2-methoxyethyl-[(4-nitrophenyl)methyl]amino]-1-(4-methylbenzoyl)pyrrolidin-2-yl]-piperazin-1-yl-methanone CAS Name: [4-[2-methoxyethyl-[(4-nitrophenyl)methyl]amino]-1-[(4-methylphenyl)-oxomethyl]-2-pyrrolidinyl]-(1-piperazinyl)methanone IUPAC Name: [4-[2-methoxyethyl-[(4-nitrophenyl)methyl]amino]-1-(4-methylbenzoyl)pyrrolidin-2-yl]-piperazin-1-ylmethanone Traditional Name: [4-[2-methoxyethyl-(4-nitrobenzyl)amino]-1-p-toluoyl-pyrrolidin-2-yl]-piperazino-methanone Formula: C27H35N5O5 MolecularWeight: 509.5973

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)N3CCNCC3)N(CCOC)CC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC(CC2C(=O)N3CCNCC3)N(CCOC)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H35N5O5/c1-20-3-7-22(8-4-20)26(33)31-19-24(17-25(31)27(34)29-13-11-28-12-14-29)30(15-16-37-2)18-21-5-9-23(10-6-21)32(35)36/h3-10,24-25,28H,11-19H2,1-2H3