N-(butylcarbamoyl)-2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(butylcarbamoyl)-2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(butylcarbamoyl)-2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]acetamide CAS Name: N-[butylamino(oxo)methyl]-2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(butylcarbamoyl)-2-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-(butylcarbamoyl)-2-[4-(4-cyanobenzyl)-1,4-diazepan-1-yl]acetamide Formula: C20H29N5O2 MolecularWeight: 371.47656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)CN1CCCN(CC1)CC2=CC=C(C=C2)C#N

Isomeric SMILES

CCCCNC(=O)NC(=O)CN1CCCN(CC1)CC2=CC=C(C=C2)C#N

InChI

InChI=1S/C20H29N5O2/c1-2-3-9-22-20(27)23-19(26)16-25-11-4-10-24(12-13-25)15-18-7-5-17(14-21)6-8-18/h5-8H,2-4,9-13,15-16H2,1H3,(H2,22,23,26,27)