N-(3-azanylpropyl)-N-[1-[7-chloranyl-4-oxidanylidene-3-(phenylmethyl)chromen-2-yl]-2-methyl-propyl]-4-cyano-benzamide

Systemtic Name: N-(3-azanylpropyl)-N-[1-[7-chloranyl-4-oxidanylidene-3-(phenylmethyl)chromen-2-yl]-2-methyl-propyl]-4-cyano-benzamide Openeye Name: N-(3-aminopropyl)-N-[1-(3-benzyl-7-chloro-4-oxo-chromen-2-yl)-2-methyl-propyl]-4-cyano-benzamide CAS Name: N-(3-aminopropyl)-N-[1-[7-chloro-4-oxo-3-(phenylmethyl)-1-benzopyran-2-yl]-2-methylpropyl]-4-cyanobenzamide IUPAC Name: N-(3-aminopropyl)-N-[1-(3-benzyl-7-chloro-4-oxochromen-2-yl)-2-methylpropyl]-4-cyanobenzamide Traditional Name: N-(3-aminopropyl)-N-[1-(3-benzyl-7-chloro-4-keto-chromen-2-yl)-2-methyl-propyl]-4-cyano-benzamide Formula: C31H30ClN3O3 MolecularWeight: 528.0412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=C(C(=O)C2=C(O1)C=C(C=C2)Cl)CC3=CC=CC=C3)N(CCCN)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

CC(C)C(C1=C(C(=O)C2=C(O1)C=C(C=C2)Cl)CC3=CC=CC=C3)N(CCCN)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C31H30ClN3O3/c1-20(2)28(35(16-6-15-33)31(37)23-11-9-22(19-34)10-12-23)30-26(17-21-7-4-3-5-8-21)29(36)25-14-13-24(32)18-27(25)38-30/h3-5,7-14,18,20,28H,6,15-17,33H2,1-2H3