(2,3-diethylquinoxalin-6-yl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone

Systemtic Name: (2,3-diethylquinoxalin-6-yl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone Openeye Name: (4-benzyl-1,4-diazepan-1-yl)-(2,3-diethylquinoxalin-6-yl)methanone CAS Name: (2,3-diethyl-6-quinoxalinyl)-[4-(phenylmethyl)-1,4-diazepan-1-yl]methanone IUPAC Name: (4-benzyl-1,4-diazepan-1-yl)-(2,3-diethylquinoxalin-6-yl)methanone Traditional Name: (4-benzyl-1,4-diazepan-1-yl)-(2,3-diethylquinoxalin-6-yl)methanone Formula: C25H30N4O MolecularWeight: 402.5319

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=C(C=C2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4)N=C1CC

Isomeric SMILES

CCC1=NC2=C(C=C(C=C2)C(=O)N3CCCN(CC3)CC4=CC=CC=C4)N=C1CC

InChI

InChI=1S/C25H30N4O/c1-3-21-22(4-2)27-24-17-20(11-12-23(24)26-21)25(30)29-14-8-13-28(15-16-29)18-19-9-6-5-7-10-19/h5-7,9-12,17H,3-4,8,13-16,18H2,1-2H3