N-(3-azanylpropyl)-N-[(1R)-1-[5-ethynyl-1-(phenylmethyl)benzimidazol-2-yl]-2-methyl-propyl]-4-methyl-benzamide

Systemtic Name: N-(3-azanylpropyl)-N-[(1R)-1-[5-ethynyl-1-(phenylmethyl)benzimidazol-2-yl]-2-methyl-propyl]-4-methyl-benzamide Openeye Name: N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5-ethynyl-benzimidazol-2-yl)-2-methyl-propyl]-4-methyl-benzamide CAS Name: N-(3-aminopropyl)-N-[(1R)-1-[5-ethynyl-1-(phenylmethyl)-2-benzimidazolyl]-2-methylpropyl]-4-methylbenzamide IUPAC Name: N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5-ethynylbenzimidazol-2-yl)-2-methylpropyl]-4-methylbenzamide Traditional Name: N-(3-aminopropyl)-N-[(1R)-1-(1-benzyl-5-ethynyl-benzimidazol-2-yl)-2-methyl-propyl]-4-methyl-benzamide Formula: C31H34N4O MolecularWeight: 478.62786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N(CCCN)C(C2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)C#C)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N(CCCN)[C@@H](C2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)C#C)C(C)C

InChI

InChI=1S/C31H34N4O/c1-5-24-14-17-28-27(20-24)33-30(35(28)21-25-10-7-6-8-11-25)29(22(2)3)34(19-9-18-32)31(36)26-15-12-23(4)13-16-26/h1,6-8,10-17,20,22,29H,9,18-19,21,32H2,2-4H3/t29-/m1/s1