4-azanyl-5-chloranyl-N-[1-(2-chloroethyl)-3-methoxy-piperidin-4-yl]-2-methoxy-benzamide hydrate

Systemtic Name: 4-azanyl-5-chloranyl-N-[1-(2-chloroethyl)-3-methoxy-piperidin-4-yl]-2-methoxy-benzamide hydrate Openeye Name: 4-amino-5-chloro-N-[1-(2-chloroethyl)-3-methoxy-4-piperidyl]-2-methoxy-benzamide hydrate CAS Name: 4-amino-5-chloro-N-[1-(2-chloroethyl)-3-methoxy-4-piperidinyl]-2-methoxybenzamide hydrate IUPAC Name: 4-amino-5-chloro-N-[1-(2-chloroethyl)-3-methoxypiperidin-4-yl]-2-methoxybenzamide hydrate Traditional Name: 4-amino-5-chloro-N-[1-(2-chloroethyl)-3-methoxy-4-piperidyl]-2-methoxy-benzamide hydrate Formula: C16H25Cl2N3O4 MolecularWeight: 394.2934

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Descriptors Computed from Structure

Canonical SMILES:

COC1CN(CCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCCl.O

Isomeric SMILES

COC1CN(CCC1NC(=O)C2=CC(=C(C=C2OC)N)Cl)CCCl.O

InChI

InChI=1S/C16H23Cl2N3O3.H2O/c1-23-14-8-12(19)11(18)7-10(14)16(22)20-13-3-5-21(6-4-17)9-15(13)24-2;/h7-8,13,15H,3-6,9,19H2,1-2H3,(H,20,22);1H2