3-[[4-(4-cyclohexylpiperazin-1-yl)carbonylphenyl]methylamino]-4-pyrrolidin-1-yl-cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[[4-(4-cyclohexylpiperazin-1-yl)carbonylphenyl]methylamino]-4-pyrrolidin-1-yl-cyclobut-3-ene-1,2-dione Openeye Name: 3-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methylamino]-4-pyrrolidin-1-yl-cyclobut-3-ene-1,2-dione CAS Name: 3-[[4-[(4-cyclohexyl-1-piperazinyl)-oxomethyl]phenyl]methylamino]-4-(1-pyrrolidinyl)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[[4-(4-cyclohexylpiperazine-1-carbonyl)phenyl]methylamino]-4-pyrrolidin-1-ylcyclobut-3-ene-1,2-dione Traditional Name: 3-[[4-(4-cyclohexylpiperazine-1-carbonyl)benzyl]amino]-4-pyrrolidino-cyclobut-3-ene-1,2-quinone Formula: C26H34N4O3 MolecularWeight: 450.57316

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CNC4=C(C(=O)C4=O)N5CCCC5

Isomeric SMILES

C1CCC(CC1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)CNC4=C(C(=O)C4=O)N5CCCC5

InChI

InChI=1S/C26H34N4O3/c31-24-22(23(25(24)32)29-12-4-5-13-29)27-18-19-8-10-20(11-9-19)26(33)30-16-14-28(15-17-30)21-6-2-1-3-7-21/h8-11,21,27H,1-7,12-18H2