5-[4-(1-methylbenzimidazol-2-yl)-1,4-diazepan-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile

Systemtic Name: 5-[4-(1-methylbenzimidazol-2-yl)-1,4-diazepan-1-yl]-2-phenyl-2-propan-2-yl-pentanenitrile Openeye Name: 2-isopropyl-5-[4-(1-methylbenzimidazol-2-yl)-1,4-diazepan-1-yl]-2-phenyl-pentanenitrile CAS Name: 5-[4-(1-methyl-2-benzimidazolyl)-1,4-diazepan-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile IUPAC Name: 5-[4-(1-methylbenzimidazol-2-yl)-1,4-diazepan-1-yl]-2-phenyl-2-propan-2-ylpentanenitrile Traditional Name: 2-isopropyl-5-[4-(1-methylbenzimidazol-2-yl)-1,4-diazepan-1-yl]-2-phenyl-valeronitrile Formula: C27H35N5 MolecularWeight: 429.6003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCCN(CC1)C2=NC3=CC=CC=C3N2C)(C#N)C4=CC=CC=C4

Isomeric SMILES

CC(C)C(CCCN1CCCN(CC1)C2=NC3=CC=CC=C3N2C)(C#N)C4=CC=CC=C4

InChI

InChI=1S/C27H35N5/c1-22(2)27(21-28,23-11-5-4-6-12-23)15-9-16-31-17-10-18-32(20-19-31)26-29-24-13-7-8-14-25(24)30(26)3/h4-8,11-14,22H,9-10,15-20H2,1-3H3