1-(1H-indol-5-yl)-3-[4-(4-phenylpiperazin-1-yl)butyl]urea dihydrate

Systemtic Name: 1-(1H-indol-5-yl)-3-[4-(4-phenylpiperazin-1-yl)butyl]urea dihydrate Openeye Name: 1-(1H-indol-5-yl)-3-[4-(4-phenylpiperazin-1-yl)butyl]urea dihydrate CAS Name: 1-(1H-indol-5-yl)-3-[4-(4-phenyl-1-piperazinyl)butyl]urea dihydrate IUPAC Name: 1-(1H-indol-5-yl)-3-[4-(4-phenylpiperazin-1-yl)butyl]urea dihydrate Traditional Name: 1-(1H-indol-5-yl)-3-[4-(4-phenylpiperazino)butyl]urea dihydrate Formula: C23H33N5O3 MolecularWeight: 427.53982

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCNC(=O)NC2=CC3=C(C=C2)NC=C3)C4=CC=CC=C4.O.O

Isomeric SMILES

C1CN(CCN1CCCCNC(=O)NC2=CC3=C(C=C2)NC=C3)C4=CC=CC=C4.O.O

InChI

InChI=1S/C23H29N5O.2H2O/c29-23(26-20-8-9-22-19(18-20)10-12-24-22)25-11-4-5-13-27-14-16-28(17-15-27)21-6-2-1-3-7-21;;/h1-3,6-10,12,18,24H,4-5,11,13-17H2,(H2,25,26,29);2*1H2