methyl (3Z)-3-[[[4-[(3-azanylpropylamino)methyl]phenyl]amino]-phenyl-methylidene]-2-oxidanylidene-1H-indole-6-carboxylate

Systemtic Name: methyl (3Z)-3-[[[4-[(3-azanylpropylamino)methyl]phenyl]amino]-phenyl-methylidene]-2-oxidanylidene-1H-indole-6-carboxylate Openeye Name: methyl (3Z)-3-[[4-[(3-aminopropylamino)methyl]anilino]-phenyl-methylene]-2-oxo-indoline-6-carboxylate CAS Name: (3Z)-3-[[4-[(3-aminopropylamino)methyl]anilino]-phenylmethylidene]-2-oxo-1H-indole-6-carboxylic acid methyl ester IUPAC Name: methyl (3Z)-3-[[4-[(3-aminopropylamino)methyl]anilino]-phenylmethylidene]-2-oxo-1H-indole-6-carboxylate Traditional Name: (3Z)-3-[[4-[(3-aminopropylamino)methyl]anilino]-phenyl-methylene]-2-keto-indoline-6-carboxylic acid methyl ester Formula: C27H28N4O3 MolecularWeight: 456.53622

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=C(C3=CC=CC=C3)NC4=CC=C(C=C4)CNCCCN)C(=O)N2

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)/C(=C(\C3=CC=CC=C3)/NC4=CC=C(C=C4)CNCCCN)/C(=O)N2

InChI

InChI=1S/C27H28N4O3/c1-34-27(33)20-10-13-22-23(16-20)31-26(32)24(22)25(19-6-3-2-4-7-19)30-21-11-8-18(9-12-21)17-29-15-5-14-28/h2-4,6-13,16,29-30H,5,14-15,17,28H2,1H3,(H,31,32)/b25-24-