N-(cyclopropylmethyl)-6-[4-(phenylmethyl)-1,4-diazepan-1-yl]pyrazine-2-carboxamide

Systemtic Name: N-(cyclopropylmethyl)-6-[4-(phenylmethyl)-1,4-diazepan-1-yl]pyrazine-2-carboxamide Openeye Name: 6-(4-benzyl-1,4-diazepan-1-yl)-N-(cyclopropylmethyl)pyrazine-2-carboxamide CAS Name: N-(cyclopropylmethyl)-6-[4-(phenylmethyl)-1,4-diazepan-1-yl]-2-pyrazinecarboxamide IUPAC Name: 6-(4-benzyl-1,4-diazepan-1-yl)-N-(cyclopropylmethyl)pyrazine-2-carboxamide Traditional Name: 6-(4-benzyl-1,4-diazepan-1-yl)-N-(cyclopropylmethyl)pyrazinamide Formula: C21H27N5O MolecularWeight: 365.47198

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=NC(=CN=C2)C(=O)NCC3CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C2=NC(=CN=C2)C(=O)NCC3CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H27N5O/c27-21(23-13-17-7-8-17)19-14-22-15-20(24-19)26-10-4-9-25(11-12-26)16-18-5-2-1-3-6-18/h1-3,5-6,14-15,17H,4,7-13,16H2,(H,23,27)