(E)-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one Openeye Name: (E)-1-(4-benzyl-1,4-diazepan-1-yl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one CAS Name: (E)-1-[4-(phenylmethyl)-1,4-diazepan-1-yl]-3-(1-phenyl-4-pyrazolyl)-2-propen-1-one IUPAC Name: (E)-1-(4-benzyl-1,4-diazepan-1-yl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one Traditional Name: (E)-1-(4-benzyl-1,4-diazepan-1-yl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one Formula: C24H26N4O MolecularWeight: 386.48944

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C=CC2=CN(N=C2)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)/C=C/C2=CN(N=C2)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O/c29-24(13-12-22-18-25-28(20-22)23-10-5-2-6-11-23)27-15-7-14-26(16-17-27)19-21-8-3-1-4-9-21/h1-6,8-13,18,20H,7,14-17,19H2/b13-12+