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

Systemtic Name: 5-(1,4-diazepan-1-yl)-2-phenyl-2-propan-2-yl-pentanenitrile Openeye Name: 5-(1,4-diazepan-1-yl)-2-isopropyl-2-phenyl-pentanenitrile CAS Name: 5-(1,4-diazepan-1-yl)-2-phenyl-2-propan-2-ylpentanenitrile IUPAC Name: 5-(1,4-diazepan-1-yl)-2-phenyl-2-propan-2-ylpentanenitrile Traditional Name: 5-(1,4-diazepan-1-yl)-2-isopropyl-2-phenyl-valeronitrile Formula: C19H29N3 MolecularWeight: 299.45366

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCN1CCCNCC1)(C#N)C2=CC=CC=C2

Isomeric SMILES

CC(C)C(CCCN1CCCNCC1)(C#N)C2=CC=CC=C2

InChI

InChI=1S/C19H29N3/c1-17(2)19(16-20,18-8-4-3-5-9-18)10-6-13-22-14-7-11-21-12-15-22/h3-5,8-9,17,21H,6-7,10-15H2,1-2H3