3-[[4-(azepan-1-ylcarbonyl)phenyl]methylamino]-4-(cyclopentylamino)cyclobut-3-ene-1,2-dione

Systemtic Name: 3-[[4-(azepan-1-ylcarbonyl)phenyl]methylamino]-4-(cyclopentylamino)cyclobut-3-ene-1,2-dione Openeye Name: 3-[[4-(azepane-1-carbonyl)phenyl]methylamino]-4-(cyclopentylamino)cyclobut-3-ene-1,2-dione CAS Name: 3-[[4-[1-azepanyl(oxo)methyl]phenyl]methylamino]-4-(cyclopentylamino)cyclobut-3-ene-1,2-dione IUPAC Name: 3-[[4-(azepane-1-carbonyl)phenyl]methylamino]-4-(cyclopentylamino)cyclobut-3-ene-1,2-dione Traditional Name: 3-[[4-(azepane-1-carbonyl)benzyl]amino]-4-(cyclopentylamino)cyclobut-3-ene-1,2-quinone Formula: C23H29N3O3 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)CNC3=C(C(=O)C3=O)NC4CCCC4

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC=C(C=C2)CNC3=C(C(=O)C3=O)NC4CCCC4

InChI

InChI=1S/C23H29N3O3/c27-21-19(20(22(21)28)25-18-7-3-4-8-18)24-15-16-9-11-17(12-10-16)23(29)26-13-5-1-2-6-14-26/h9-12,18,24-25H,1-8,13-15H2