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

Systemtic Name: N-[(2,4-dichlorophenyl)methyl]-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carboxamide Openeye Name: N-[(2,4-dichlorophenyl)methyl]-4-(4-pyridylmethyl)-1,4-diazepane-1-carboxamide CAS Name: N-[(2,4-dichlorophenyl)methyl]-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carboxamide IUPAC Name: N-[(2,4-dichlorophenyl)methyl]-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carboxamide Traditional Name: N-(2,4-dichlorobenzyl)-4-(4-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=CC=NC=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H22Cl2N4O/c20-17-3-2-16(18(21)12-17)13-23-19(26)25-9-1-8-24(10-11-25)14-15-4-6-22-7-5-15/h2-7,12H,1,8-11,13-14H2,(H,23,26)