2-(3-methylpiperidin-1-yl)-N-[6-[2-(3-methylpiperidin-1-yl)propanoylamino]acridin-3-yl]propanamide hydrate

Systemtic Name: 2-(3-methylpiperidin-1-yl)-N-[6-[2-(3-methylpiperidin-1-yl)propanoylamino]acridin-3-yl]propanamide hydrate Openeye Name: 2-(3-methyl-1-piperidyl)-N-[6-[2-(3-methyl-1-piperidyl)propanoylamino]acridin-3-yl]propanamide hydrate CAS Name: 2-(3-methyl-1-piperidinyl)-N-[6-[[2-(3-methyl-1-piperidinyl)-1-oxopropyl]amino]-3-acridinyl]propanamide hydrate IUPAC Name: 2-(3-methylpiperidin-1-yl)-N-[6-[2-(3-methylpiperidin-1-yl)propanoylamino]acridin-3-yl]propanamide hydrate Traditional Name: 2-(3-methylpiperidino)-N-[6-[2-(3-methylpiperidino)propanoylamino]acridin-3-yl]propionamide hydrate Formula: C31H43N5O3 MolecularWeight: 533.70482

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(C)C(=O)NC2=CC3=C(C=C2)C=C4C=CC(=CC4=N3)NC(=O)C(C)N5CCCC(C5)C.O

Isomeric SMILES

CC1CCCN(C1)C(C)C(=O)NC2=CC3=C(C=C2)C=C4C=CC(=CC4=N3)NC(=O)C(C)N5CCCC(C5)C.O

InChI

InChI=1S/C31H41N5O2.H2O/c1-20-7-5-13-35(18-20)22(3)30(37)32-26-11-9-24-15-25-10-12-27(17-29(25)34-28(24)16-26)33-31(38)23(4)36-14-6-8-21(2)19-36;/h9-12,15-17,20-23H,5-8,13-14,18-19H2,1-4H3,(H,32,37)(H,33,38);1H2