3-(cyclohexylamino)-4-[(4-pyrrolidin-1-ylcarbonylphenyl)methylamino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-(cyclohexylamino)-4-[(4-pyrrolidin-1-ylcarbonylphenyl)methylamino]cyclobut-3-ene-1,2-dione Openeye Name: 3-(cyclohexylamino)-4-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]cyclobut-3-ene-1,2-dione CAS Name: 3-(cyclohexylamino)-4-[[4-[oxo(1-pyrrolidinyl)methyl]phenyl]methylamino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-(cyclohexylamino)-4-[[4-(pyrrolidine-1-carbonyl)phenyl]methylamino]cyclobut-3-ene-1,2-dione Traditional Name: 3-(cyclohexylamino)-4-[[4-(pyrrolidine-1-carbonyl)benzyl]amino]cyclobut-3-ene-1,2-quinone Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC2=C(C(=O)C2=O)NCC3=CC=C(C=C3)C(=O)N4CCCC4

Isomeric SMILES

C1CCC(CC1)NC2=C(C(=O)C2=O)NCC3=CC=C(C=C3)C(=O)N4CCCC4

InChI

InChI=1S/C22H27N3O3/c26-20-18(19(21(20)27)24-17-6-2-1-3-7-17)23-14-15-8-10-16(11-9-15)22(28)25-12-4-5-13-25/h8-11,17,23-24H,1-7,12-14H2