3-azanyl-4-[[3-[(4-methoxyphenyl)-(3-phenylpropylamino)methyl]phenyl]amino]cyclobut-3-ene-1,2-dione

Systemtic Name: 3-azanyl-4-[[3-[(4-methoxyphenyl)-(3-phenylpropylamino)methyl]phenyl]amino]cyclobut-3-ene-1,2-dione Openeye Name: 3-amino-4-[3-[(4-methoxyphenyl)-(3-phenylpropylamino)methyl]anilino]cyclobut-3-ene-1,2-dione CAS Name: 3-amino-4-[3-[(4-methoxyphenyl)-(3-phenylpropylamino)methyl]anilino]cyclobut-3-ene-1,2-dione IUPAC Name: 3-amino-4-[3-[(4-methoxyphenyl)-(3-phenylpropylamino)methyl]anilino]cyclobut-3-ene-1,2-dione Traditional Name: 3-amino-4-[3-[(4-methoxyphenyl)-(3-phenylpropylamino)methyl]anilino]cyclobut-3-ene-1,2-quinone Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC(=CC=C2)NC3=C(C(=O)C3=O)N)NCCCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC(=CC=C2)NC3=C(C(=O)C3=O)N)NCCCC4=CC=CC=C4

InChI

InChI=1S/C27H27N3O3/c1-33-22-14-12-19(13-15-22)24(29-16-6-9-18-7-3-2-4-8-18)20-10-5-11-21(17-20)30-25-23(28)26(31)27(25)32/h2-5,7-8,10-15,17,24,29-30H,6,9,16,28H2,1H3