4-azanyl-N-[2-[4-(6-methylpyridin-2-yl)piperazin-1-yl]ethyl]benzamide hydrate

Systemtic Name: 4-azanyl-N-[2-[4-(6-methylpyridin-2-yl)piperazin-1-yl]ethyl]benzamide hydrate Openeye Name: 4-amino-N-[2-[4-(6-methyl-2-pyridyl)piperazin-1-yl]ethyl]benzamide hydrate CAS Name: 4-amino-N-[2-[4-(6-methyl-2-pyridinyl)-1-piperazinyl]ethyl]benzamide hydrate IUPAC Name: 4-amino-N-[2-[4-(6-methylpyridin-2-yl)piperazin-1-yl]ethyl]benzamide hydrate Traditional Name: 4-amino-N-[2-[4-(6-methyl-2-pyridyl)piperazino]ethyl]benzamide hydrate Formula: C38H52N10O3 MolecularWeight: 696.88468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)N2CCN(CC2)CCNC(=O)C3=CC=C(C=C3)N.CC1=NC(=CC=C1)N2CCN(CC2)CCNC(=O)C3=CC=C(C=C3)N.O

Isomeric SMILES

CC1=NC(=CC=C1)N2CCN(CC2)CCNC(=O)C3=CC=C(C=C3)N.CC1=NC(=CC=C1)N2CCN(CC2)CCNC(=O)C3=CC=C(C=C3)N.O

InChI

InChI=1S/2C19H25N5O.H2O/c2*1-15-3-2-4-18(22-15)24-13-11-23(12-14-24)10-9-21-19(25)16-5-7-17(20)8-6-16;/h2*2-8H,9-14,20H2,1H3,(H,21,25);1H2