N-[bis[1-(4-azanylhepta-1,6-diyn-4-yl)phenanthren-9-yl]methylidene]hydroxylamine

Systemtic Name: N-[bis[1-(4-azanylhepta-1,6-diyn-4-yl)phenanthren-9-yl]methylidene]hydroxylamine Openeye Name: bis[1-(1-amino-1-prop-2-ynyl-but-3-ynyl)-9-phenanthryl]methanone oxime CAS Name: bis[1-(4-aminohepta-1,6-diyn-4-yl)-9-phenanthrenyl]methanone oxime IUPAC Name: N-[bis[1-(4-aminohepta-1,6-diyn-4-yl)phenanthren-9-yl]methylidene]hydroxylamine Traditional Name: bis[1-(1-amino-1-propargyl-but-3-ynyl)-9-phenanthryl]methanone oxime Formula: C43H33N3O MolecularWeight: 607.74162

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Descriptors Computed from Structure

Canonical SMILES:

C#CCC(CC#C)(C1=CC=CC2=C1C=C(C3=CC=CC=C23)C(=NO)C4=CC5=C(C=CC=C5C(CC#C)(CC#C)N)C6=CC=CC=C64)N

Isomeric SMILES

C#CCC(CC#C)(C1=CC=CC2=C1C=C(C3=CC=CC=C23)C(=NO)C4=CC5=C(C=CC=C5C(CC#C)(CC#C)N)C6=CC=CC=C64)N

InChI

InChI=1S/C43H33N3O/c1-5-23-42(44,24-6-2)39-21-13-19-31-29-15-9-11-17-33(29)37(27-35(31)39)41(46-47)38-28-36-32(30-16-10-12-18-34(30)38)20-14-22-40(36)43(45,25-7-3)26-8-4/h1-4,9-22,27-28,47H,23-26,44-45H2