3-[(3S)-3-[(8-azanylnaphthalen-1-yl)amino]-3-(1,3-benzodioxol-5-yl)propanoyl]-1-methyl-2-oxidanyl-quinolin-4-one

Systemtic Name: 3-[(3S)-3-[(8-azanylnaphthalen-1-yl)amino]-3-(1,3-benzodioxol-5-yl)propanoyl]-1-methyl-2-oxidanyl-quinolin-4-one Openeye Name: 3-[(3S)-3-[(8-amino-1-naphthyl)amino]-3-(1,3-benzodioxol-5-yl)propanoyl]-2-hydroxy-1-methyl-quinolin-4-one CAS Name: 3-[(3S)-3-[(8-amino-1-naphthalenyl)amino]-3-(1,3-benzodioxol-5-yl)-1-oxopropyl]-2-hydroxy-1-methyl-4-quinolinone IUPAC Name: 3-[(3S)-3-[(8-aminonaphthalen-1-yl)amino]-3-(1,3-benzodioxol-5-yl)propanoyl]-2-hydroxy-1-methylquinolin-4-one Traditional Name: 3-[(3S)-3-[(8-amino-1-naphthyl)amino]-3-(1,3-benzodioxol-5-yl)propanoyl]-2-hydroxy-1-methyl-4-quinolone Formula: C30H25N3O5 MolecularWeight: 507.5366

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)CC(C3=CC4=C(C=C3)OCO4)NC5=CC=CC6=C5C(=CC=C6)N

Isomeric SMILES

CN1C2=CC=CC=C2C(=O)C(=C1O)C(=O)C[C@@H](C3=CC4=C(C=C3)OCO4)NC5=CC=CC6=C5C(=CC=C6)N

InChI

InChI=1S/C30H25N3O5/c1-33-23-11-3-2-8-19(23)29(35)28(30(33)36)24(34)15-22(18-12-13-25-26(14-18)38-16-37-25)32-21-10-5-7-17-6-4-9-20(31)27(17)21/h2-14,22,32,36H,15-16,31H2,1H3/t22-/m0/s1