4-[4-[3-[4-(2-azanylpropanoyl)-1,4-diazepan-1-yl]propoxy]phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-[3-[4-(2-azanylpropanoyl)-1,4-diazepan-1-yl]propoxy]phenyl]benzenecarbonitrile Openeye Name: 4-[4-[3-[4-(2-aminopropanoyl)-1,4-diazepan-1-yl]propoxy]phenyl]benzonitrile CAS Name: 4-[4-[3-[4-(2-amino-1-oxopropyl)-1,4-diazepan-1-yl]propoxy]phenyl]benzonitrile IUPAC Name: 4-[4-[3-[4-(2-aminopropanoyl)-1,4-diazepan-1-yl]propoxy]phenyl]benzonitrile Traditional Name: 4-[4-[3-(4-alanyl-1,4-diazepan-1-yl)propoxy]phenyl]benzonitrile Formula: C24H30N4O2 MolecularWeight: 406.5206

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCN(CC1)CCCOC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)N

Isomeric SMILES

CC(C(=O)N1CCCN(CC1)CCCOC2=CC=C(C=C2)C3=CC=C(C=C3)C#N)N

InChI

InChI=1S/C24H30N4O2/c1-19(26)24(29)28-14-2-12-27(15-16-28)13-3-17-30-23-10-8-22(9-11-23)21-6-4-20(18-25)5-7-21/h4-11,19H,2-3,12-17,26H2,1H3