N-[(2,4-dichlorophenyl)methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide

Systemtic Name: N-[(2,4-dichlorophenyl)methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide Openeye Name: N-[(2,4-dichlorophenyl)methyl]-4-(3-pyridylmethyl)-1,4-diazepane-1-carboxamide CAS Name: N-[(2,4-dichlorophenyl)methyl]-4-(3-pyridinylmethyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-[(2,4-dichlorophenyl)methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxamide Traditional Name: N-(2,4-dichlorobenzyl)-4-(3-pyridylmethyl)-1,4-diazepane-1-carboxamide Formula: C19H22Cl2N4O MolecularWeight: 393.31018

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NCC2=C(C=C(C=C2)Cl)Cl)CC3=CN=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)NCC2=C(C=C(C=C2)Cl)Cl)CC3=CN=CC=C3

InChI

InChI=1S/C19H22Cl2N4O/c20-17-5-4-16(18(21)11-17)13-23-19(26)25-8-2-7-24(9-10-25)14-15-3-1-6-22-12-15/h1,3-6,11-12H,2,7-10,13-14H2,(H,23,26)