N-(1,3-benzodioxol-5-ylmethyl)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(1-methylindol-3-yl)-3-(m-tolyl)propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(1-methyl-3-indolyl)-3-(3-methylphenyl)propanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)propanamide Traditional Name: 3-(1-methylindol-3-yl)-3-(m-tolyl)-N-piperonyl-propionamide Formula: C27H26N2O3 MolecularWeight: 426.50694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CN(C5=CC=CC=C54)C

Isomeric SMILES

CC1=CC(=CC=C1)C(CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=CN(C5=CC=CC=C54)C

InChI

InChI=1S/C27H26N2O3/c1-18-6-5-7-20(12-18)22(23-16-29(2)24-9-4-3-8-21(23)24)14-27(30)28-15-19-10-11-25-26(13-19)32-17-31-25/h3-13,16,22H,14-15,17H2,1-2H3,(H,28,30)