3-[(E,5R)-5-[(3-aminophenyl)amino]-5-phenyl-pent-2-enoyl]-1-methyl-2-oxidanyl-quinolin-4-one

Systemtic Name: 3-[(E,5R)-5-[(3-aminophenyl)amino]-5-phenyl-pent-2-enoyl]-1-methyl-2-oxidanyl-quinolin-4-one Openeye Name: 3-[(E,5R)-5-(3-aminoanilino)-5-phenyl-pent-2-enoyl]-2-hydroxy-1-methyl-quinolin-4-one CAS Name: 3-[(E,5R)-5-(3-aminoanilino)-1-oxo-5-phenylpent-2-enyl]-2-hydroxy-1-methyl-4-quinolinone IUPAC Name: 3-[(E,5R)-5-(3-aminoanilino)-5-phenylpent-2-enoyl]-2-hydroxy-1-methylquinolin-4-one Traditional Name: 3-[(E,5R)-5-(3-aminoanilino)-5-phenyl-pent-2-enoyl]-2-hydroxy-1-methyl-4-quinolone Formula: C27H25N3O3 MolecularWeight: 439.5057

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)C=CCC(C3=CC=CC=C3)NC4=CC=CC(=C4)N

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)/C=C/C[C@H](C3=CC=CC=C3)NC4=CC=CC(=C4)N

InChI

InChI=1S/C27H25N3O3/c1-30-23-15-6-5-13-21(23)26(32)25(27(30)33)24(31)16-8-14-22(18-9-3-2-4-10-18)29-20-12-7-11-19(28)17-20/h2-13,15-17,22,29,33H,14,28H2,1H3/b16-8+/t22-/m1/s1