N-[2-[2-(3,5-dimethylphenyl)-5-isocyanato-1H-indol-3-yl]ethyl]-N-(phenylmethyl)-4-pyridin-3-yl-butan-1-amine

Systemtic Name: N-[2-[2-(3,5-dimethylphenyl)-5-isocyanato-1H-indol-3-yl]ethyl]-N-(phenylmethyl)-4-pyridin-3-yl-butan-1-amine Openeye Name: N-benzyl-N-[2-[2-(3,5-dimethylphenyl)-5-isocyanato-1H-indol-3-yl]ethyl]-4-(3-pyridyl)butan-1-amine CAS Name: N-[2-[2-(3,5-dimethylphenyl)-5-isocyanato-1H-indol-3-yl]ethyl]-N-(phenylmethyl)-4-(3-pyridinyl)-1-butanamine IUPAC Name: N-benzyl-N-[2-[2-(3,5-dimethylphenyl)-5-isocyanato-1H-indol-3-yl]ethyl]-4-pyridin-3-ylbutan-1-amine Traditional Name: benzyl-[2-[2-(3,5-dimethylphenyl)-5-isocyanato-1H-indol-3-yl]ethyl]-[4-(3-pyridyl)butyl]amine Formula: C35H36N4O MolecularWeight: 528.68654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)N=C=O)CCN(CCCCC4=CN=CC=C4)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)N=C=O)CCN(CCCCC4=CN=CC=C4)CC5=CC=CC=C5)C

InChI

InChI=1S/C35H36N4O/c1-26-19-27(2)21-30(20-26)35-32(33-22-31(37-25-40)13-14-34(33)38-35)15-18-39(24-29-10-4-3-5-11-29)17-7-6-9-28-12-8-16-36-23-28/h3-5,8,10-14,16,19-23,38H,6-7,9,15,17-18,24H2,1-2H3