5-(pyridin-4-ylmethyl)-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-4-one

Systemtic Name: 5-(pyridin-4-ylmethyl)-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-4-one Openeye Name: 5-(4-pyridylmethyl)-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-4-one CAS Name: 5-(pyridin-4-ylmethyl)-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-4-one IUPAC Name: 5-(pyridin-4-ylmethyl)-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-4-one Traditional Name: 5-(4-pyridylmethyl)-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-4-one Formula: C18H17N3O MolecularWeight: 291.34708

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C(=NC3=CC=CC=C3N(C2=O)CC4=CC=NC=C4)C1

Isomeric SMILES

C1CC2C(=NC3=CC=CC=C3N(C2=O)CC4=CC=NC=C4)C1

InChI

InChI=1S/C18H17N3O/c22-18-14-4-3-6-15(14)20-16-5-1-2-7-17(16)21(18)12-13-8-10-19-11-9-13/h1-2,5,7-11,14H,3-4,6,12H2