N-(2-aminophenyl)-4-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-yl]phenyl]butanamide

Systemtic Name: N-(2-aminophenyl)-4-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-yl]phenyl]butanamide Openeye Name: N-(2-aminophenyl)-4-[4-[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)vinyl]phenyl]butanamide CAS Name: N-(2-aminophenyl)-4-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-yl]phenyl]butanamide IUPAC Name: N-(2-aminophenyl)-4-[4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)prop-1-en-2-yl]phenyl]butanamide Traditional Name: N-(2-aminophenyl)-4-[4-[1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)vinyl]phenyl]butyramide Formula: C28H31N3O MolecularWeight: 425.56524

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Descriptors Computed from Structure

Canonical SMILES:

C=C(CN1CCC2=CC=CC=C2C1)C3=CC=C(C=C3)CCCC(=O)NC4=CC=CC=C4N

Isomeric SMILES

C=C(CN1CCC2=CC=CC=C2C1)C3=CC=C(C=C3)CCCC(=O)NC4=CC=CC=C4N

InChI

InChI=1S/C28H31N3O/c1-21(19-31-18-17-24-8-2-3-9-25(24)20-31)23-15-13-22(14-16-23)7-6-12-28(32)30-27-11-5-4-10-26(27)29/h2-5,8-11,13-16H,1,6-7,12,17-20,29H2,(H,30,32)