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

Systemtic Name: N-(3-azanylpropyl)-N-[1-[7-cyano-4-oxidanylidene-3-(phenylmethyl)chromen-2-yl]-2-methyl-propyl]-3,4-dimethyl-benzamide Openeye Name: N-(3-aminopropyl)-N-[1-(3-benzyl-7-cyano-4-oxo-chromen-2-yl)-2-methyl-propyl]-3,4-dimethyl-benzamide CAS Name: N-(3-aminopropyl)-N-[1-[7-cyano-4-oxo-3-(phenylmethyl)-1-benzopyran-2-yl]-2-methylpropyl]-3,4-dimethylbenzamide IUPAC Name: N-(3-aminopropyl)-N-[1-(3-benzyl-7-cyano-4-oxochromen-2-yl)-2-methylpropyl]-3,4-dimethylbenzamide Traditional Name: N-(3-aminopropyl)-N-[1-(3-benzyl-7-cyano-4-keto-chromen-2-yl)-2-methyl-propyl]-3,4-dimethyl-benzamide Formula: C33H35N3O3 MolecularWeight: 521.6493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N(CCCN)C(C2=C(C(=O)C3=C(O2)C=C(C=C3)C#N)CC4=CC=CC=C4)C(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N(CCCN)C(C2=C(C(=O)C3=C(O2)C=C(C=C3)C#N)CC4=CC=CC=C4)C(C)C)C

InChI

InChI=1S/C33H35N3O3/c1-21(2)30(36(16-8-15-34)33(38)26-13-11-22(3)23(4)17-26)32-28(18-24-9-6-5-7-10-24)31(37)27-14-12-25(20-35)19-29(27)39-32/h5-7,9-14,17,19,21,30H,8,15-16,18,34H2,1-4H3