N-(3-azanylpropyl)-N-[[5-[(4-tert-butylphenyl)carbonylamino]-2-chloranyl-phenyl]methyl]-4-cyano-benzamide

Systemtic Name: N-(3-azanylpropyl)-N-[[5-[(4-tert-butylphenyl)carbonylamino]-2-chloranyl-phenyl]methyl]-4-cyano-benzamide Openeye Name: N-(3-aminopropyl)-N-[[5-[(4-tert-butylbenzoyl)amino]-2-chloro-phenyl]methyl]-4-cyano-benzamide CAS Name: N-(3-aminopropyl)-N-[[5-[[(4-tert-butylphenyl)-oxomethyl]amino]-2-chlorophenyl]methyl]-4-cyanobenzamide IUPAC Name: N-(3-aminopropyl)-N-[[5-[(4-tert-butylbenzoyl)amino]-2-chlorophenyl]methyl]-4-cyanobenzamide Traditional Name: N-(3-aminopropyl)-N-[5-[(4-tert-butylbenzoyl)amino]-2-chloro-benzyl]-4-cyano-benzamide Formula: C29H31ClN4O2 MolecularWeight: 503.03504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)CN(CCCN)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)CN(CCCN)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C29H31ClN4O2/c1-29(2,3)24-11-9-21(10-12-24)27(35)33-25-13-14-26(30)23(17-25)19-34(16-4-15-31)28(36)22-7-5-20(18-32)6-8-22/h5-14,17H,4,15-16,19,31H2,1-3H3,(H,33,35)