2-[4-(3-chloranylpyridin-4-yl)piperazin-1-yl]carbonyl-3-(2-methoxyphenyl)-2-methyl-3-naphthalen-1-yl-propanenitrile

Systemtic Name: 2-[4-(3-chloranylpyridin-4-yl)piperazin-1-yl]carbonyl-3-(2-methoxyphenyl)-2-methyl-3-naphthalen-1-yl-propanenitrile Openeye Name: 2-[4-(3-chloro-4-pyridyl)piperazine-1-carbonyl]-3-(2-methoxyphenyl)-2-methyl-3-(1-naphthyl)propanenitrile CAS Name: 2-[[4-(3-chloro-4-pyridinyl)-1-piperazinyl]-oxomethyl]-3-(2-methoxyphenyl)-2-methyl-3-(1-naphthalenyl)propanenitrile IUPAC Name: 2-[4-(3-chloropyridin-4-yl)piperazine-1-carbonyl]-3-(2-methoxyphenyl)-2-methyl-3-naphthalen-1-ylpropanenitrile Traditional Name: 2-[4-(3-chloro-4-pyridyl)piperazine-1-carbonyl]-3-(2-methoxyphenyl)-2-methyl-3-(1-naphthyl)propionitrile Formula: C31H29ClN4O2 MolecularWeight: 525.04056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C(C1=CC=CC=C1OC)C2=CC=CC3=CC=CC=C32)C(=O)N4CCN(CC4)C5=C(C=NC=C5)Cl

Isomeric SMILES

CC(C#N)(C(C1=CC=CC=C1OC)C2=CC=CC3=CC=CC=C32)C(=O)N4CCN(CC4)C5=C(C=NC=C5)Cl

InChI

InChI=1S/C31H29ClN4O2/c1-31(21-33,30(37)36-18-16-35(17-19-36)27-14-15-34-20-26(27)32)29(25-11-5-6-13-28(25)38-2)24-12-7-9-22-8-3-4-10-23(22)24/h3-15,20,29H,16-19H2,1-2H3