N-[(E)-1-(4-aminophenyl)ethylideneamino]-5-phenyl-pyrazolidine-3-carboxamide hydrate

Systemtic Name: N-[(E)-1-(4-aminophenyl)ethylideneamino]-5-phenyl-pyrazolidine-3-carboxamide hydrate Openeye Name: N-[(E)-1-(4-aminophenyl)ethylideneamino]-5-phenyl-pyrazolidine-3-carboxamide hydrate CAS Name: N-[(E)-1-(4-aminophenyl)ethylideneamino]-5-phenyl-3-pyrazolidinecarboxamide hydrate IUPAC Name: N-[(E)-1-(4-aminophenyl)ethylideneamino]-5-phenylpyrazolidine-3-carboxamide hydrate Traditional Name: N-[(E)-1-(4-aminophenyl)ethylideneamino]-5-phenyl-pyrazolidine-3-carboxamide hydrate Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1CC(NN1)C2=CC=CC=C2)C3=CC=C(C=C3)N.O

Isomeric SMILES

C/C(=N\NC(=O)C1CC(NN1)C2=CC=CC=C2)/C3=CC=C(C=C3)N.O

InChI

InChI=1S/C18H21N5O.H2O/c1-12(13-7-9-15(19)10-8-13)20-23-18(24)17-11-16(21-22-17)14-5-3-2-4-6-14;/h2-10,16-17,21-22H,11,19H2,1H3,(H,23,24);1H2/b20-12+;